[1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol

C14H24F3NO — CID 118126060

IUPAC[1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)13(6-2-1-3-7-13)11-18-8-4-12(10-19)5-9-18/h12,19H,1-11H2
InChIKeyJKUIYHFDBVSFCV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds3

About [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol

[1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol (PubChem CID 118126060) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol
PubChem CID118126060
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name[1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)13(6-2-1-3-7-13)11-18-8-4-12(10-19)5-9-18/h12,19H,1-11H2
InChIKeyJKUIYHFDBVSFCV-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol (CID 118126060) is [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol is OCC1CCN(CC2(C(F)(F)F)CCCCC2)CC1.
What is the InChIKey of [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
The InChIKey is JKUIYHFDBVSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)13(6-2-1-3-7-13)11-18-8-4-12(10-19)5-9-18/h12,19H,1-11H2.
What are the key properties of [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol?
[1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 118126060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).